Compound Detail
CHEMBL4068593
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Basic Information
| ChEMBL ID | CHEMBL4068593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZVJMEQBTCGBMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.21
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-d... | 28570067 |
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 173.0 | nM | 6.76 | Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-d... | 28570067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28570067 | 10.1021/acs.jmedchem.7b00437 | Cytochrome P450 11B1, mitochondrial | 1 |
| 28570067 | 10.1021/acs.jmedchem.7b00437 | Cytochrome P450 11B2, mitochondrial | 1 |
| 28570067 | 10.1021/acs.jmedchem.7b00437 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine